CrPt
CrPt is a stable, metallic alloy of chromium and platinum used primarily in catalytic research.
About CrPt
CrPt is a metallic alloy composed of chromium and platinum. As a member of the platinum-group alloy catalyst family, it is recognized for its thermodynamic stability, sitting directly on the convex hull of its constituent elements. This structural robustness makes it a subject of significant interest in materials science, supported by a wealth of structural data across multiple databases. Its metallic nature suggests high electrical conductivity, which is a critical feature for its potential integration into electrochemical systems. The compound is primarily studied for its catalytic efficiency, where the synergy between the transition metal and the noble metal provides unique surface properties for chemical transformations. Its stability ensures that it maintains its structural integrity under demanding operational conditions, making it a reliable candidate for advanced material design.
Key Properties
Cross-validated computational properties for CrPt, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CrPt. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CrPt, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -33.556 | 13.76 |
| R-3m (No. 166) | trigonal | 0.00 | 0.2162 | -33.340 | 14.86 |
| P1 (No. 1) | Triclinic | — | — | — | 7.77 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.15 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.93 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 10.56 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 10.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.22 |
Applications
Where CrPt is used.
Frequently Asked Questions
Common questions about CrPt, answered from cross-validated data.
What is CrPt?
CrPt is a stable, metallic alloy of chromium and platinum used primarily in catalytic research.
What is CrPt used for?
What is the band gap of CrPt?
Is CrPt a metal, semiconductor, or insulator?
Is CrPt thermodynamically stable?
What is the crystal structure of CrPt?
What is the density of CrPt?
How many polymorphs of CrPt are known?
What elements does CrPt contain?
Where does the data for CrPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, CrPt stands out for its high thermodynamic stability compared to more complex or less stable intermetallic phases like BaPd or Ga2Ru. While many members of this group are investigated for specific magnetic or catalytic properties, CrPt is particularly notable for its well-defined structural behavior, which contrasts with the more varied and sometimes less stable configurations found in siblings like As2Pt.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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